6TDQ
Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.643, 84.124, 83.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.720 - 1.600 |
| R-factor | 0.1713 |
| Rwork | 0.169 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q3k |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.658 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.000 | 1.641 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.620 |
| Number of reflections | 103544 | 7133 |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 96.9 | |
| Redundancy | 3.4 | |
| CC(1/2) | 1.000 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M HEPES pH 7.5, 20% PEG 10 000, 8% ethylene glycol |
